3MLK
Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.973, 69.317, 81.114 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.700 - 3.100 |
| R-factor | 0.2187 |
| Rwork | 0.216 |
| R-free | 0.28204 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1phm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.112 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 7468 | |
| <I/σ(I)> | 23.4 | 2.2 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Crystallization: 0.1-0.5mM CuSO4, 1.25 mM NiCl2, 100mM sodium cacodylate pH=5.5, 3mM sodium azide and 5% glycerol. The crystal was first soaked in 5mM ascorbic acid and then soaked in 300mM NaNO2 (with 5mM ascorbic acid) for 13 hours at RT., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
